Crystallography Open Database

Information card for entry 7009978

Preview

Coordinates	7009978.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H46 F6 N O9 P2 Rh
Calculated formula	C39 H46 F6 N O9 P2 Rh
SMILES	[Rh]123456([P](c7c(OC)cccc7OC)(c7ccccc7)C7(C(C=CC=C7OC)=[O]1)C(=C6)c1ccc(N(=O)=O)cc1)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.[P](F)(F)(F)(F)(F)[F-].O.O.O
Title of publication	Novel insertion of ethynylbenzene derivatives bearing an electron-withdrawing substituent at the 4-position into a P‒C bond and their transannular insertion between a metal atom and an ipso-carbon atom of the phosphine ligand †
Authors of publication	Yamamoto, Yasuhiro; Sugawara, Kenichiro
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	17
Pages of publication	2896
a	15.299 ± 0.007 Å
b	14.826 ± 0.007 Å
c	19.505 ± 0.009 Å
α	90°
β	106.78 ± 0.03°
γ	90°
Cell volume	4236 ± 3 Å³
Cell temperature	299.2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for significantly intense reflections	0.0653
Weighted residual factors for all reflections included in the refinement	0.1797
Goodness-of-fit parameter for all reflections included in the refinement	1.62
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7009978.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009978.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009978.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009978.cif